4-chloranyl-5-methyl-6-[1-(phenylmethyl)pyridin-1-ium-2-yl]-7H-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-chloranyl-5-methyl-6-[1-(phenylmethyl)pyridin-1-ium-2-yl]-7H-pyrrolo[2,3-d]pyrimidine Openeye Name: 6-(1-benzylpyridin-1-ium-2-yl)-4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine CAS Name: 4-chloro-5-methyl-6-[1-(phenylmethyl)-2-pyridin-1-iumyl]-7H-pyrrolo[2,3-d]pyrimidine IUPAC Name: 6-(1-benzylpyridin-1-ium-2-yl)-4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine Traditional Name: 6-(1-benzylpyridin-1-ium-2-yl)-4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine Formula: C19H16ClN4+ MolecularWeight: 335.81014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=NC=N2)Cl)C3=CC=CC=[N+]3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=C1C(=NC=N2)Cl)C3=CC=CC=[N+]3CC4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4/c1-13-16-18(20)21-12-22-19(16)23-17(13)15-9-5-6-10-24(15)11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3/p+1